Chemical Properties of Hexanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

Hexanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

InChI
InChI=1S/C16H26O2/c1-6-7-8-9-16(17)18-15(12-14(4)5)11-10-13(2)3/h14-15H,2,6-9,12H2,1,3-5H3
InChI Key
DBEQUMZHKFWGOD-UHFFFAOYSA-N
Formula
C16H26O2
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)CCCCC
Molecular Weight1
250.38
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Physical Properties

Property Value Unit Source
ΔfH°gas -322.36 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 33.47 kJ/mol Joback Calculated Property
ΔvapH° 75.99 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.104 Crippen Calculated Property
McVol 230.840 ml/mol McGowan Calculated Property
Inp [1569.00; 1569.00]   Show Hide
Inp 1569.00 NIST
Inp 1569.00 NIST
Tboil 513.24 K Relay (1.0) Calculated Property
Tc 714.83 K Relay (1.0) Calculated Property
Tfus 240.35 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [612.78; 706.88] J/mol×K [646.45; 839.85] Show Hide
Cp,gas 612.78 J/mol×K 646.45 Joback Calculated Property
Cp,gas 630.61 J/mol×K 678.68 Joback Calculated Property
Cp,gas 647.55 J/mol×K 710.92 Joback Calculated Property
Cp,gas 663.62 J/mol×K 743.15 Joback Calculated Property
Cp,gas 678.85 J/mol×K 775.39 Joback Calculated Property
Cp,gas 693.26 J/mol×K 807.62 Joback Calculated Property
Cp,gas 706.88 J/mol×K 839.85 Joback Calculated Property

Similar Compounds

Octanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Sebacic acid, di(2,7-dimethylocta-7-en-5-yn-4-yl) ester. Undec-10-ynoic acid, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Valeric acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Glutaric acid, di(2,7-dimethyloct-5-yn-7-en-4-yl) ester. Butanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Sebacic acid, butyl 2,7-dimethylocta-7-en-5-yn-4-yl ester. Sebacic acid, 2,7-dimethylocta-7-en-5-yn-4-yl heptyl ester. Sebacic acid, 2,7-dimethylocta-7-en-5-yn-4-yl hexyl ester. Sebacic acid, 2,7-dimethylocta-7-en-5-yn-4-yl pentyl ester. 6-Bromohexanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Sebacic acid, 2,7-dimethylocta-7-en-5-yn-4-yl isobutyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl hexyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl heptyl ester. Hexanoic acid, 3,5,5-trimethyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester.

Find more compounds similar to Hexanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.

Sources

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